6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol

C8H13NO2 — CID 24812656

IUPAC6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol
SMILESOCCCN1C2C=CC(O)C21
InChIInChI=1S/C8H13NO2/c10-5-1-4-9-6-2-3-7(11)8(6)9/h2-3,6-8,10-11H,1,4-5H2
InChIKeyBIQSTWXGRHNGBV-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.65
Rot. Bonds3

About 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol

6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol (PubChem CID 24812656) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol
PubChem CID24812656
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol
SMILESOCCCN1C2C=CC(O)C21
InChIInChI=1S/C8H13NO2/c10-5-1-4-9-6-2-3-7(11)8(6)9/h2-3,6-8,10-11H,1,4-5H2
InChIKeyBIQSTWXGRHNGBV-UHFFFAOYSA-N
XLogP-0.65
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol?
The IUPAC name of 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol (CID 24812656) is 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol.
What is the SMILES notation for 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol?
The canonical SMILES for 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol is OCCCN1C2C=CC(O)C21.
What is the InChIKey of 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol?
The InChIKey is BIQSTWXGRHNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-1-4-9-6-2-3-7(11)8(6)9/h2-3,6-8,10-11H,1,4-5H2.
What are the key properties of 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol?
6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-6-azabicyclo[3.1.0]hex-3-en-2-ol is sourced from PubChem (CID 24812656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).